Information card for entry 8000499

Structure parameters

• Formula: C11 H37 Br7 N4 Pb2
• Calculated formula: C11 H37 Br7 N4 Pb2
• Title of publication: Free Carriers versus Self-Trapped Excitons at Different Facets of Ruddlesden-Popper Two-Dimensional Lead Halide Perovskite Single Crystals.
• Authors of publication: Liang, Mingli; Lin, Weihua; Zhao, Qian; Zou, Xianshao; Lan, Zhenyun; Meng, Jie; Shi, Qi; Castelli, Ivano E.; Canton, Sophie E.; Pullerits, Tönu; Zheng, Kaibo
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 20
• Pages of publication: 4965 - 4971
• a: 8.325 ± 0.0006 Å
• b: 42.717 ± 0.004 Å
• c: 8.325 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2960.5 ± 0.5 ų
• Cell temperature: 297.13 ± 0.1 K
• Ambient diffraction temperature: 297.13 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 37
• Hermann-Mauguin space group symbol: C c c 2
• Hall space group symbol: C 2 -2c
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1406
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No